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--- povchem.c.orig Fri Jul 11 11:49:07 2003
+++ povchem.c Fri Jul 11 11:59:23 2003
@@ -482,7 +482,7 @@
*/
if (*fileName==NULL) {
- New_String(fileName,"povchem.cfg");
+ New_String(fileName,SYSCONFDIR "/povchem.cfg");
if ((config=fopen(*fileName,"r"))==NULL) {
puts("Can't read the configuration file \"povchem.cfg\"!");
perror("Reason");
@@ -731,7 +731,7 @@
no_config:
- if (!PERIODIC_TABLE_FILE) New_String(&PERIODIC_TABLE_FILE,"periodic.tab");
+ if (!PERIODIC_TABLE_FILE) New_String(&PERIODIC_TABLE_FILE,DATADIR "/periodic.tab");
if (!FINISH) New_String(&FINISH,"Plastic");
if (!FINISH_DECLARATION) New_String(&FINISH_DECLARATION,"\
finish {\n\
@@ -742,7 +742,7 @@
phong 0.3\n\
phong_size 50\n\
specular 0.0\n\
- }\n\n");
+ };\n\n");
if (POVRAY && (!POV_OPTIONS || !POV_WIDTH) ) {
puts("Warning: to run POV-Ray from PovChem, you must define *all* the");
@@ -977,10 +977,10 @@
if (model==CPK ||
(model==BALLnSTICK && ballSizeModel==PROPORTIONAL) ) {
if (model==BALLnSTICK)
- fprintf(pov,"#declare Proportionality_Constant = %.*g\n",SF,ballRadius);
+ fprintf(pov,"#declare Proportionality_Constant = %.*g;\n",SF,ballRadius);
for (Z=0;Z<NUM_ELEMENTS;Z++) {
if (PeriodicTable[Z].isPresent) {
- fprintf(pov,"#declare %s_Radius = %.*g",
+ fprintf(pov,"#declare %s_Radius = %.*g;",
PeriodicTable[Z].name,SF,PeriodicTable[Z].vdW);
if (model==BALLnSTICK)
fputs("*Proportionality_Constant\n",pov);
@@ -989,13 +989,13 @@
}
}
} else
- fprintf(pov,"#declare All_Atom_Radius = %.*g\n",SF,Determine_Radius(0));
+ fprintf(pov,"#declare All_Atom_Radius = %.*g;\n",SF,Determine_Radius(0));
fputs("\n",pov);
if (sphereColorModel==BY_ELEMENT || cylinderColorModel==BY_ELEMENT) {
for (Z=0;Z<NUM_ELEMENTS;Z++) {
if (PeriodicTable[Z].isPresent) {
- fprintf(pov,"#declare Atom_%s_Color = color rgb <%.5g, %.5g, %.5g>\n",
+ fprintf(pov,"#declare Atom_%s_Color = color rgb <%.5g, %.5g, %.5g>;\n",
PeriodicTable[Z].name,RED(Z),GREEN(Z),BLUE(Z));
}
}
@@ -1003,20 +1003,20 @@
}
if (sphereColorModel==ALL_THE_SAME)
- fprintf(pov,"#declare All_Atom_Color = color rgb <%.5g, %.5g, %.5g>\n\n",
+ fprintf(pov,"#declare All_Atom_Color = color rgb <%.5g, %.5g, %.5g>;\n\n",
allSphereColor.r,allSphereColor.g,allSphereColor.b);
if (sphereColorModel==BY_PDB) {
if (ballSizeModel==CONSTANT) {
fputs("#declare Atom_All =\n sphere {\n",pov);
fputs(" <0,0,0>, All_Atom_Radius\n",pov);
- fprintf(pov," finish { %s }\n }\n\n",FINISH);
+ fprintf(pov," finish { %s }\n };\n\n",FINISH);
} else {
for (Z=0;Z<NUM_ELEMENTS;Z++) {
if (PeriodicTable[Z].isPresent) {
fprintf(pov,"#declare Atom_%s =\n sphere {\n",PeriodicTable[Z].name);
fprintf(pov," <0,0,0>, %s_Radius\n",PeriodicTable[Z].name);
- fprintf(pov," finish { %s }\n }\n",FINISH);
+ fprintf(pov," finish { %s }\n };\n",FINISH);
}
}
fputs("\n",pov);
@@ -1024,7 +1024,7 @@
tag=firstSphereTag;
nTags=nSphereTags;
for (i=0;i<nTags;i++) {
- fprintf(pov,"#declare Atom_%s_Color = color rgb <%.5g, %.5g, %.5g>\n",
+ fprintf(pov,"#declare Atom_%s_Color = color rgb <%.5g, %.5g, %.5g>;\n",
tag->name,tag->r,tag->g,tag->b);
tag=tag->next;
}
@@ -1051,7 +1051,7 @@
fputs( " pigment { color All_Atom_Color }\n",pov);
break;
}
- fprintf(pov," finish { %s }\n }\n }\n",FINISH);
+ fprintf(pov," finish { %s }\n }\n };\n",FINISH);
}
}
@@ -1060,7 +1060,7 @@
fputs( " <0,0,0>, All_Atom_Radius\n",pov);
fputs( " texture {\n",pov);
fputs( " pigment { color All_Atom_Color }\n",pov);
- fprintf(pov," finish { %s }\n }\n }\n",FINISH);
+ fprintf(pov," finish { %s }\n }\n };\n",FINISH);
}
fputs("\n",pov);
@@ -1080,26 +1080,26 @@
factors[4]=HIGH_ORDER_FACTOR;
if (nOrders[H_BOND]) {
- fprintf(pov,"#declare H_Bond_Radius = %.*g\n",SF,HBondRadius);
- fprintf(pov,"#declare H_Bond_Color = color rgb <%.5g, %.5g, %.5g>\n",
+ fprintf(pov,"#declare H_Bond_Radius = %.*g;\n",SF,HBondRadius);
+ fprintf(pov,"#declare H_Bond_Color = color rgb <%.5g, %.5g, %.5g>;\n",
HBondColor.r,HBondColor.g,HBondColor.b);
fputs( "#declare H_Bond =\n cylinder {\n",pov);
fputs( " <0,0,0>, <1,0,0>, H_Bond_Radius\n",pov);
fputs( " texture {\n",pov);
fputs( " pigment { H_Bond_Color }\n",pov);
- fprintf(pov," finish { %s }\n }\n }\n\n",FINISH);
+ fprintf(pov," finish { %s }\n }\n };\n\n",FINISH);
}
if (model==CYLINDER)
- fputs("#declare All_Bond_Radius = All_Atom_Radius\n\n",pov);
+ fputs("#declare All_Bond_Radius = All_Atom_Radius;\n\n",pov);
else {
if (cylinderSizeModel==CONSTANT)
- fprintf(pov,"#declare All_Bond_Radius = %.*g\n\n",SF,cylinderRadius);
+ fprintf(pov,"#declare All_Bond_Radius = %.*g;\n\n",SF,cylinderRadius);
else {
- fprintf(pov,"#declare Single_Bond_Radius = %.*g\n",SF,cylinderRadius);
+ fprintf(pov,"#declare Single_Bond_Radius = %.*g;\n",SF,cylinderRadius);
for (i=DOUBLE;i<=HIGH_ORDER;i++) {
if (nOrders[i])
- fprintf(pov,"#declare %sBond_Radius = Single_Bond_Radius*%.*g\n",
+ fprintf(pov,"#declare %sBond_Radius = Single_Bond_Radius*%.*g;\n",
orderTypes[i],SF,factors[i]);
}
fputs("\n",pov);
@@ -1107,7 +1107,7 @@
}
if (cylinderColorModel==ALL_THE_SAME)
- fprintf(pov,"#declare All_Bond_Color = color rgb <%.5g, %.5g, %.5g>\n\n",
+ fprintf(pov,"#declare All_Bond_Color = color rgb <%.5g, %.5g, %.5g>;\n\n",
allCylinderColor.r,allCylinderColor.g,allCylinderColor.b);
fputs( "#declare Bond =\n cylinder {\n",pov);
@@ -1124,12 +1124,12 @@
} else
fprintf(pov," finish { %s }\n",FINISH);
- fputs( " }\n\n",pov);
+ fputs( " };\n\n",pov);
if (cylinderColorModel==BY_PDB && firstCylinderTag!=firstSphereTag) {
tag=firstCylinderTag;
for (i=0;i<nCylinderTags;i++) {
- fprintf(pov,"#declare Bond_%s_Color = color rgb <%.5g, %.5g, %.5g>\n",
+ fprintf(pov,"#declare Bond_%s_Color = color rgb <%.5g, %.5g, %.5g>;\n",
tag->name,tag->r,tag->g,tag->b);
tag=tag->next;
}
@@ -2092,7 +2092,7 @@
* the origin, looking along +Z, sky along +Y.
*/
- fprintf(pov,"#declare Camera_Position = < %.6g, %.6g, %.6g >\n\n",
+ fprintf(pov,"#declare Camera_Position = < %.6g, %.6g, %.6g >;\n\n",
eye.x,eye.y,eye.z);
fputs( "camera{\n",pov);
@@ -2317,7 +2317,7 @@
/*-------------------- the main program body --------------------------*/
-void main(int argc, char *argv[])
+int main(int argc, char *argv[])
{
char *pdbName, *configName=NULL;
char *tgaName=NULL, *leftTga=NULL, *rightTga=NULL;
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